4-azanyl-2-(2-azanyl-3-methyl-butanoyl)-6-methyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)heptanoic acid

Systemtic Name: 4-azanyl-2-(2-azanyl-3-methyl-butanoyl)-6-methyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: 4-amino-2-(2-amino-3-methyl-butanoyl)-2-(benzyloxycarbonylamino)-6-methyl-3-oxo-heptanoic acid CAS Name: 4-amino-2-(2-amino-3-methyl-1-oxobutyl)-6-methyl-3-oxo-2-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: 4-amino-2-(2-amino-3-methylbutanoyl)-6-methyl-3-oxo-2-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: 4-amino-2-(2-amino-3-methyl-butanoyl)-2-(benzyloxycarbonylamino)-3-keto-6-methyl-enanthic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(=O)C(C(C)C)N)(C(=O)O)NC(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC(C)CC(C(=O)C(C(=O)C(C(C)C)N)(C(=O)O)NC(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C21H31N3O6/c1-12(2)10-15(22)17(25)21(19(27)28,18(26)16(23)13(3)4)24-20(29)30-11-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11,22-23H2,1-4H3,(H,24,29)(H,27,28)